3-[(3-nitro-4-oxidanyl-phenyl)methyl]chromen-2-one

Systemtic Name: 3-[(3-nitro-4-oxidanyl-phenyl)methyl]chromen-2-one Openeye Name: 3-[(4-hydroxy-3-nitro-phenyl)methyl]chromen-2-one CAS Name: 3-[(4-hydroxy-3-nitrophenyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-[(4-hydroxy-3-nitrophenyl)methyl]chromen-2-one Traditional Name: 3-(4-hydroxy-3-nitro-benzyl)coumarin Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO5/c18-14-6-5-10(8-13(14)17(20)21)7-12-9-11-3-1-2-4-15(11)22-16(12)19/h1-6,8-9,18H,7H2